arXiv · 1102.3853
Electric and magnetic dipole shielding constants for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
Abstract
The Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive closed-form expressions for electric ($σ_{\mathrm{E}}$) and magnetic ($σ_{\mathrm{M}}$) dipole shielding constants for the ground state of the relativistic hydrogen-like atom with a point-like and spinless nucleus of charge $Ze$. It is found that $σ_{\mathrm{E}}=Z^{-1}$ (as it should be) and $$σ_{\mathrm{M}}=-(2Zα^{2}/27)(4γ_{1}^{3}+6γ_{1}^{2}-7γ_{1}-12) /[γ_{1}(γ_{1}+1)(2γ_{1}-1)],$$ where $γ_{1}=\sqrt{1-(Zα)^{2}}$ ($α$ is the fine-structure constant). This expression for $σ_{\mathrm{M}}$ agrees with earlier findings of several other authors, obtained with the use of other analytical techniques, and is elementary compared to an alternative one presented recently by Cheng \emph{et al.} [J. Chem. Phys. 130 (2009) 144102], which involves an infinite series of ratios of the Euler's gamma functions.
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Patrycja Stefańska, Radoslaw Szmytkowski. 2011-02-18. Electric and magnetic dipole shielding constants for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function. https://doi.org/10.1002/qua.23108
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